SCHEMBL3346971

SCHEMBL3346971

CCCCCCCC(Cl)(Cl)CCCCCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
THRB P10828 1/20 0.50
ALDH1A1 P00352 1/20 0.45
FDPS P14324 10/20 0.44
SMPD1 P17405 2/20 0.44
GGPS1 O95749 6/20 0.42
CES2 O00748 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1639544 1.00 TSHR (0.50) TSHRTHRBALDH1A1FDPSSMPD1
SCHEMBL27778757 0.97 TSHR (0.47) TSHRTHRBALDH1A1FDPSSMPD1
Methylene Chloride SCHEMBL19064598 0.94 TSHR (0.48) TSHRTHRBALDH1A1FDPSSMPD1
Methylene Chloride SCHEMBL2388456 0.94 TSHR (0.48) TSHRTHRBALDH1A1FDPSSMPD1
Methylene Chloride SCHEMBL3865938 0.94 TSHR (0.48) TSHRTHRBALDH1A1FDPSSMPD1
Methylene Chloride SCHEMBL2064725 0.94 TSHR (0.48) TSHRTHRBALDH1A1FDPSSMPD1
SCHEMBL10839732 0.94 TSHR (0.41) TSHRTHRBALDH1A1FDPSSMPD1
SCHEMBL8197016 0.91 FDPS (0.39) TSHRTHRBALDH1A1FDPSSMPD1
SCHEMBL17241830 0.88 TSHR (0.44) TSHRTHRBALDH1A1FDPSSMPD1
SCHEMBL5682175 0.88 TSHR (0.44) TSHRTHRBALDH1A1FDPSSMPD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197273-B1 PROCESS FOR PREPARING R-GOSSYPOL L-PHENYLALANINOL DIENAMINE ASCENTA THERAPEUTICS INC (US) 2014-09-24 EP disclosed
EP-2197273-A1 PROCESS FOR PREPARING R-GOSSYPOL L-PHENYLALANINOL DIENAMINE Ascenta Therapeutics, Inc. (US) 2010-06-23 EP disclosed
US-7696372-B2 Process for preparing R-gossypol L-phenylalaninol dienamine ASCENTA THERAPEUTICS, INC. (US) 2010-04-13 US disclosed
WO-2009045410-A1 PROCESS FOR PREPARING R-GOSSYPOL L-PHENYLALANINOL DIENAMINE ASCENTA THERAPEUTICS, INC. (US) 2009-04-09 WO disclosed
US-20090088590-A1 Process for preparing R-gossypol L-Phenylalaninol dienamine ASCENTA THERAPEUTICS, INC. (US) 2009-04-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090088590-A1 Process for preparing R-gossypol L-Phenylalaninol dienamine ERAL1, PDCD5, ARL1 TSHR 4171/4885THRB 4493/4885ALDH1A1 2281/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.